[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone

C20H30N6O — CID 95719545

IUPAC[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)n(C)n1
InChIInChI=1S/C20H30N6O/c1-14-19(15(2)23(3)21-14)17-12-18(24(4)22-17)20(27)26-11-7-8-16(13-26)25-9-5-6-10-25/h12,16H,5-11,13H2,1-4H3/t16-/m1/s1
InChIKeyJVAOZSCBLLIZEG-MRXNPFEDSA-N
MW370.50 g/mol
LogP2.14
Rot. Bonds3

About [1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone

[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone (PubChem CID 95719545) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is [1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
PubChem CID95719545
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)n(C)n1
InChIInChI=1S/C20H30N6O/c1-14-19(15(2)23(3)21-14)17-12-18(24(4)22-17)20(27)26-11-7-8-16(13-26)25-9-5-6-10-25/h12,16H,5-11,13H2,1-4H3/t16-/m1/s1
InChIKeyJVAOZSCBLLIZEG-MRXNPFEDSA-N
XLogP2.14
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone
CID 97197985
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 66124763
(4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 66122826
(3-aminopiperidin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119381724
[1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51854340
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,3-dimethylpyrazol-5-yl)methanone
CID 66122825
(5-bromo-2-methylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 65309799
[3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119493717
(3S)-1-(2,5-dimethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 78996840
(2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 103882570
(1-methyl-3-phenylpyrazol-5-yl)-[(3S)-3-phenylazepan-1-yl]methanone
CID 99979577
(3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 66126511

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The IUPAC name of [1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone (CID 95719545) is [1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for [1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone is Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)n(C)n1.
What is the InChIKey of [1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The InChIKey is JVAOZSCBLLIZEG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N6O/c1-14-19(15(2)23(3)21-14)17-12-18(24(4)22-17)20(27)26-11-7-8-16(13-26)25-9-5-6-10-25/h12,16H,5-11,13H2,1-4H3/t16-/m1/s1.
What are the key properties of [1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone has a molecular weight of 370.50 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95719545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).